[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine

C5H9F2NO2S — CID 105441485

IUPAC[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESNCC1(C(F)F)CS(=O)(=O)C1
InChIInChI=1S/C5H9F2NO2S/c6-4(7)5(1-8)2-11(9,10)3-5/h4H,1-3,8H2
InChIKeyXBOSKQDQPGXPPO-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.38
Rot. Bonds2

About [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine

[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine (PubChem CID 105441485) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine
PubChem CID105441485
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine
SMILESNCC1(C(F)F)CS(=O)(=O)C1
InChIInChI=1S/C5H9F2NO2S/c6-4(7)5(1-8)2-11(9,10)3-5/h4H,1-3,8H2
InChIKeyXBOSKQDQPGXPPO-UHFFFAOYSA-N
XLogP-0.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689
3-(3,3,3-Trifluoropropylsulfonyl)propan-1-amine
CID 58685040
4-Trifluoromethanesulfonylbutan-1-amine
CID 87227626
2,2-Dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine
CID 134335454
3-Difluoromethanesulfonylpropan-1-amine
CID 81186415

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The IUPAC name of [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine (CID 105441485) is [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine is NCC1(C(F)F)CS(=O)(=O)C1.
What is the InChIKey of [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
The InChIKey is XBOSKQDQPGXPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-4(7)5(1-8)2-11(9,10)3-5/h4H,1-3,8H2.
What are the key properties of [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine?
[3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine has a molecular weight of 185.19 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1,1-dioxothietan-3-yl]methanamine is sourced from PubChem (CID 105441485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).